{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "400e334d7756cc174b0dd93426c2e881",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.105,
"b": 72.960,
"c": 52.486,
"alpha": 90.00,
"beta": 109.43,
"gamma": 90.00
},
"wavelengths": [0.89120],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.538,1.600],
"number_observations": 166438,
"number_observations_unique": 40237,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 18.510
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 4.136
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.700,1.600],
"number_observations": 20294,
"number_observations_unique": 5528,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.431
},
{
"type": "R(meas)",
"value": 0.507
},
{
"type": "I/SigI",
"value": 3.380
},
{
"type": "Completeness",
"value": 82.000
},
{
"type": "CC(1/2)",
"value": 0.816
}
]
},
{
"resolution_limits": [1.820,1.700],
"number_observations": 26640,
"number_observations_unique": 6218,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.328
},
{
"type": "R(meas)",
"value": 0.375
},
{
"type": "I/SigI",
"value": 4.610
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "CC(1/2)",
"value": 0.912
}
]
},
{
"resolution_limits": [1.960,1.820],
"number_observations": 24507,
"number_observations_unique": 5827,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.187
},
{
"type": "R(meas)",
"value": 0.215
},
{
"type": "I/SigI",
"value": 8.270
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
{
"resolution_limits": [2.150,1.960],
"number_observations": 22464,
"number_observations_unique": 5342,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 15.210
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.400,2.150],
"number_observations": 20461,
"number_observations_unique": 4858,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 19.410
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.780,2.400],
"number_observations": 18419,
"number_observations_unique": 4332,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 25.620
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.400,2.780],
"number_observations": 15568,
"number_observations_unique": 3671,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 36.690
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.790,3.400],
"number_observations": 11732,
"number_observations_unique": 2867,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 51.230
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [42.538,4.790],
"number_observations": 6353,
"number_observations_unique": 1594,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 50.830
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}
|